[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]methanone

Systemtic Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]methanone Openeye Name: [2,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-[2,5-dimethyl-1-(2-pyridinylmethyl)-3-pyrrolyl]methanone IUPAC Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]methanone Traditional Name: [2,5-dimethyl-1-(2-pyridylmethyl)pyrrol-3-yl]-[4-(4-sec-butylphenyl)sulfonylpiperazino]methanone Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N(C(=C3)C)CC4=CC=CC=N4)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(N(C(=C3)C)CC4=CC=CC=N4)C

InChI

InChI=1S/C27H34N4O3S/c1-5-20(2)23-9-11-25(12-10-23)35(33,34)30-16-14-29(15-17-30)27(32)26-18-21(3)31(22(26)4)19-24-8-6-7-13-28-24/h6-13,18,20H,5,14-17,19H2,1-4H3